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Search results for: DRUG DELIVERY, HYDROXYLATION, CARBON NANOTUBES, MOLECULAR DYNAMIC SIMULATION, ENCAPSULATION, ANTIMICROBIAL PEPTIDE
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Electrochemical synthesis and characterization of nanocomposites based on poly(3,4-ethylenedioxythiophene) and functionalized carbon nanotubes
PublicationThis work is focused on new composite materials consisting of poly(3,4-ethylenedioxythiophene) (pEDOT) and functionalized multi-walled carbon nanotubes synthesized electrochemically. Three types of composites were synthesized: the first one containing carbon nanotubes with carboxyl groups (covalent functionalization), the second one containing oxidized carbon nanotubes ox-MWCNTs (with different oxygen-rich polar groups) (covalent...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublicationFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublicationInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
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Synthetic strategies in construction of organic macromolecular carrier–drug conjugates
PublicationMany metabolic inhibitors, considered potential antimicrobial or anticancer drug candidates, exhibit verylimited ability to cross the biological membranes of target cells. The restricted cellular penetration ofthose molecules is often due to their highhydrophilicity. One of the possible solutions to this problem is aconjugation of an inhibitor with a molecular organic nanocarrier. The conjugate thus formed should beable to penetrate...
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Oxygen biosensor based on carbon nanotubes directly grown on graphitic substrate
PublicationFilms of carbon nanotubes were synthesized on the graphitic substrates by CVD method in the presence of catalyst. Two different catalysts were used, that is nickel and iron, supported on graphitic substrates. The as-obtained nanotubes were analyzed by SEM imaging with EDX and Raman spectroscopy. The results revealed their multi-walled morphology. Free radical reaction was carried out in order to chemically functionalize synthesized...
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Tuning Carbon Nanotubes Through Poor Metal Addition to Iron Catalysts in CVD
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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pH-Responsive Drug Delivery Nanoplatforms as Smart Carriers of Unsymmetrical Bisacridines for Targeted Cancer Therapy
PublicationSelective therapy and controlled drug release at an intracellular level remain key challenges for effective cancer treatment. Here, we employed folic acid (FA) as a self-navigating molecule in nanoconjugates containing quantum dots (QDs) and β-cyclodextrin (β-CD) for the delivery of antitumor unsymmetrical bisacridine compound (C-2028) to lung and prostate cancers as well as normal cells. The bisacridine derivative can form the...
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The impact of lipophilicity on environmental processes, drug delivery and bioavailability of food components
PublicationLipophilic properties of the compound allow to predict its fate in living organisms and to propose the models of chemicals transport and accumulation in the ecosystem. Lipophilicity is also useful as the characteristic of chemicals in respect to their optimal attributes for specific biological and non-biological tasks. The lipophilicity descriptors define the potency of endo- and xenobiotics to metabolic transformations and their...
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Tracing of dynamic objects in distributed interactive simulation systems
PublicationDistributed interactive simulation systems require integration of several areas of computer science and applied mathematics to enable each individual simulation object to visualize effectively dynamic states of other objects. Objects are unpredictable,i.e., controlled by their local operators, and are remote, i.e., must rely on some transmission media to visualize dynamic scene from their local perspectives. The paper...
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Drug-Eluting Biopsy Needle as a Novel Strategy for Antimicrobial Prophylaxis in Transrectal Prostate Biopsy
PublicationOBJECTIVES: To preclinically evaluate drug-eluting biopsy needles (patent pending WO2016118026) as a new potential way of antimicrobial prophylaxis for transrectal prostate biopsy. METHODS: Twenty steel biopsy needles have been coated with polyvinyl alcohol, ciprofloxacin, and amikacin. Modified biopsy needles have been randomly divided into 3 groups (1:2:1 ratio). Needles from group I were immersed for 30 minutes in dedicated...
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Chemiresistive gas sensors based on carbon nanotubes - fabrication and application
PublicationMany types of sensors have been invented to identify and quantify chemical contamination in the gas phase. Sensors based on carbon nanotubes are particularly attractive because of their wide range of applicaions and potential use in electronic nose that can be controlled using algorithms of Artificial Intelligence. Sensor functions, fabrication and selected applications are reviewed and discussed with focus on chemiresistors. Drawbacks...
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Derivatization of single-walled carbon nanotubes with redox mediator biocatalytic oxygen electrodes
PublicationSingle-walled carbon nanotubes were covalently modyfied with a redox mediator derived from 2,2'-azino-bis-(3-ethylbenzothiazole)-6-sulfonic acid.
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Optical properties of the chemotherapy drugs used in the central nervous system lymphoma therapy: monitoring drug delivery
PublicationOur aim is to optically monitor the delivery of the chemotherapy drugs for brain tumours, particularly used in the central nervous system (CNS) lymphoma therapy. In vivo monitoring would help to optimize the treatment and avoiding unnecessary medications. Moreover, it would be beneficial to be able to measure which of the multi-regimen drugs actually do penetrate and how well into the brain tissue. There exist several potential...
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublicationW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models.
PublicationOpisano proces kondensacji pary wodnej w ujĘciu fenomenologicznymi dynamiczno-molekularnym. Wczesne fazy wzrostu klastra opisano w ramach klasycznej teorii Hertza-Knudsena. Obszernie przedstawiono wyniki symulacji dynamiczno-molekularnych zjawiska kondensacji pary wodnej z jednorodnej fazy gazowej (przebieg powstawania małych klastrów H2O i szybkość wzrostu klastrów ponadkrytycznych).
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Double layer adhesive silicone dressing as a potential dermal drug delivery film in scar treatment
PublicationThe present studies focused on the evaluation of design of an adhesive silicone film intended for scar treatment. Developed silicone double layer film was examined in terms of its future relevance to therapy and applicability on the human skin considering properties which included in vitro permeability of water vapor and oxygen. In order to adapt the patches for medical use in the future there were tested such properties as...
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublicationShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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Determination of amikacin and ciprofloxacin by liquid chromatography with pre-column derivatization to evaluate sustained delivery of antibiotics from Drug-Eluting Biopsy Needle
PublicationDetermination of chosen antibacterial antibiotics: amikacin and ciprofloxacin was carried out by HPLC-UV after derivatization with 9-fluorenylmethyl chloroformate and in their native form by HPLC-MS/MS. Developed methods have been applied to control the kinetics of antibiotic release from polymer-based controlled drug delivery system.
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Development of a Peptide Derived from Platelet-Derived Growth Factor (PDGF-BB) into a Potential Drug Candidate for the Treatment of Wounds
PublicationObjective: This study evaluated the use of novel peptides derived from platelet-derived growth factor (PDGF-BB) as potential wound healing stimulants. One of the compounds (named PDGF2) was subjected for further research after cytotoxicity and proliferation assays on human skin cells. Further investigation included evaluation of: migration and chemotaxis of skin cells, immunological and allergic safety, the transcriptional analyses...
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Capacitance Enhancement by Incorporation of Functionalised Carbon Nanotubes into Poly(3,4-Ethylenedioxythiophene)/Graphene Oxide Composites
PublicationThis paper reports on the role of oxidised carbon nanotubes (oxMWCNTs) present in poly-3,4-ethylenedioxytiophene (PEDOT)/graphene oxide (GOx) composite. The final ternary composites (pEDOT/GOx/oxMWCNTs) are synthesised by an electrodeposition process from the suspension-containing monomer, oxidised carbon nanotubes and graphene oxide. Dissociated functional groups on the surface of graphene oxide play a role of counter-ions for the...
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Journal of Drug Delivery
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Drug Delivery Letters
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Drug Delivery System
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Optimising DNA binding to carbon nanotubes by non-covalent methods
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Simulation model for evaluation of QOS dynamic routing
PublicationCurrent informational networks use a large variety of technologies to support data exchange. Most of them are focused on IP protocol and include mechanisms which by definition should supply demanded QoS. One of those mechanisms is efficient path calculation - routing. Traffic offered to the network can change very rapidly in short term. Routing should support such traffic changes and all the time calculate valid paths in terms...
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High-performance method of carbon nanotubes modification by microwave plasma for thin composite films preparation
PublicationIn this work we present a simple and efficient method of nitrogen plasma modification of carbon nanotubes (CNTs). The process allows for treatment of the nanotubes in the form of powder with quite a high yield (65 mg of CNTs per hour). The modified carbon nanotubes contain approx. 3.8% of nitrogen, mostly in the pyridinic form. Plasma treated CNTs exhibit better dispersibility in water and higher electric capacitance than pristine...
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Interatomic potential suitable for the modeling of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe test the potentials available for elemental carbon, with the scope to choose the potential suitable for the modeling of penta-graphene, the latest two dimensional carbon allotrope. By using molecular statics and molecular dynamics simulations we show that there is only one potential e namely the Tersoff-type potential proposed by Erhart and Albe in 2005 e which is able to correctly describe all the important features of penta-graphene....
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On the plastic buckling of curved carbon nanotubes
PublicationThis research, for the first time, predicts theoretically static stability response of a curved carbon nanotube (CCNT) under an elastoplastic behavior with several boundary conditions. The CCNT is exposed to axial compressive loads. The equilibrium equations are extracted regarding the Euler–Bernoulli displacement field by means of the principle of minimizing total potential energy. The elastoplastic stress-strain is concerned...
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Spray deposited carbon nanotubes counter electrodes for dye-sensitized solar cells
PublicationCarbon nanotubes due to their catalytic properties are a promising alternative to platinum counter electrodes (CE) for dye-sensitized solar cells (DSSC). In this study, counter electrodes were made from double-walled carbon nanotube (DWCNT) ink using the spray printing technique and afterwards thermally treated at temperatures ranging from 120 to 300 °C. Morphology and structure was studied using scanning electron microscopy and...
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Synthesis, characterization, and electrochemical testing of carbon nanotubes derivatized with azobenzene and anthraquinone.
PublicationWielościenne i jednościenne nanorurki węglowe modyfikowano na ścianach bocznych związkami elektrochemicznie aktywnymi, takimi jak azobenzen i antrachinon. Funkcjonalizowane nanorurki badano technikami spektroskopowymi i elektrochemicznymi oraz wykorzystując mikroskopię elektronową. Wyniki tych badań potwierdziły chemiczną modyfikację.
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Synthesis and electronic properties of B-doped single wall carbon nanotubes
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublicationApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Current state of a dual behaviour of antimicrobial peptides-Therapeutic agents and promising delivery vectors
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Chitosan-Based Nanoparticles as Effective Drug Delivery Systems—A review
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Recent Advances in Polymer-Based Vaginal Drug Delivery Systems
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Construction of a simulation model of goods delivery in international road transportation taking into account the functioning efficiency of logistics supply chain
PublicationThe object of this study is the process of goods delivery in international road transport using various types of logistics chains. The problem being solved is due to the need to develop recommendations for exporters of goods to reformat or design new supply chains during wartime. The expediency of organizing foreign trade operations by the cargo owners' own forces or with the involvement of enterprises providing logistics consulting...
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Influence of Urea and Dimethyl Sulfoxide on K-Peptide Fibrillation
PublicationProtein fibrillation leads to formation of amyloids—linear aggregates that are hallmarks of many serious diseases, including Alzheimer’s and Parkinson’s diseases. In this work, we investigate the fibrillation of a short peptide (K-peptide) from the amyloidogenic core of hen egg white lysozyme in the presence of dimethyl sulfoxide or urea. During the studies, a variety of spectroscopic methods were used: fluorescence spectroscopy...
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Antibiotic loaded microspheres as antimicrobial delivery systems for medical applications
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Functionalized Peptide Fibrils as a Scaffold for Active Substances in Wound Healing
PublicationTechnological developments in the field of biologically active peptide applications in medicine have increased the need for new methods for peptide delivery. The disadvantage of peptides as drugs is their low biological stability. Recently, great attention has been paid to self-assembling peptides that can form fibrils. Such a formulation makes bioactive peptides more resistant to enzymatic degradation and druggable. Peptide fibrils...
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Silver intercalated carbon nanotubes
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Electrode materials for electrochemical capacitors based on poly(3,4-ethylenedioxythiophene) and functionalized multi-walled carbon nanotubes characterized in aqueous and aprotic electrolytes
PublicationWithin this work, we report a facile one-stage synthesis of nanocomposites based on functionalized carbon nanotubes (CNTs) and electroactive polymer poly(3,4-ethylenedioxythiophene). Three different composites are investigated as potential electrode materials for the electrochemical capacitors. Two of the composites contain carbon nanotubes (ox-CNTs), functionalized by acid oxidation process (65% HNO3, 120 °C). The third composite...
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Simulation Results of Dynamic Capacity Reallocation in Hierarchical Cell Structure of UMTS Network
PublicationIn the paper simulation results of dynamic capacity reallocation between different layers of hierarchical cell structure of UMTS network has been described. This approach for load management seems to be useful for improving the resource utilization perfmorance.
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Use of Materials Based on Polymeric Silica as Bone-Targeted Drug Delivery Systems for Metronidazole
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Aryl and N-arylamide carbon nanotubes for electrical coupling of laccase to electrodes in biofuel cells and biobatteries
PublicationSingle walled carbon nanotubes (SWCNTs) were equipped with aryl residues by chemical reactions. These insoluble materials were used to substitute classical soluble mediators, which help to transfer electrical charge between the conducting electrode and the redox active center of enzyme molecules. The effect of different aryl residues on the efficiency of the catalytic reduction of dioxygen in the presence of laccase was systematically...
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Enzyme-linked carbon nanotubes as biocatalytic tools to degrade and mitigate environmental pollutants
PublicationA wide array of organic compounds have been recognized as pollutants of high concern due to their controlled or uncontrolled presence in environmental matrices. The persistent prevalence of diverse organic pollutants, including pharmaceutical compounds, phenolic compounds, synthetic dyes, and other hazardous substances, necessitates robust measures for their practical and sustainable removal from water bodies. Several bioremediation and...
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pH-dependent composite coatings for controlled drug delivery system - Review
PublicationNowadays in case of long-term implants, the most common postoperative complications are bacterial infections, which in consequence may provoke loos- ening of the implants in the primary phase of stabilization. Bacterial infections are currently the most frequent cause of revision surgery of the implants such as hip joint endoprosthesis, knee joint endoprosthesis and dental implants. In order to provide the local and long-term antibacterial...
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Topical delivery of pharmaceutical and cosmetic macromolecules using microemulsion systems
PublicationMicroemulsions are transparent, thermodynamically stable colloidal systems. Over the recent years, they have been increasingly investigated due to their potential as skin delivery vehicles for a wide range of drug molecules. The nanoscale particle size and the specificity of microemulsion components are the main features determining the skin permeation process. However, in order to effectively cross the skin barrier, the active...
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Antimicrobial and conformational studies of the active and inactive analogues of the protegrin-1 peptide
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